CID 5179663

4-hydroxy-5-phenylcyclopent-4-ene-1,3-dione

Structural Information

Molecular Formula
C11H8O3
SMILES
C1C(=O)C(=C(C1=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H8O3/c12-8-6-9(13)11(14)10(8)7-4-2-1-3-5-7/h1-5,14H,6H2
InChIKey
FDFWUEDHNVOGMV-UHFFFAOYSA-N
Compound name
4-hydroxy-5-phenylcyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

188.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 135.8
[M+Na]+ 211.036568 145.5
[M-H]- 187.040074 142.2
[M+NH4]+ 206.081173 156.9
[M+K]+ 227.010508 142.2
[M+H-H2O]+ 171.044610 130.4
[M+HCOO]- 233.045551 160.2
[M+CH3COO]- 247.061201 178.5
[M+Na-2H]- 209.022016 139.7
[M]+ 188.04680142 135.5
[M]- 188.04789858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe